[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-sulfanylbenzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-sulfanylbenzoate CAS Name: 2-mercaptobenzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-sulfanylbenzoate Traditional Name: 2-mercaptobenzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H13BrO4S MolecularWeight: 381.24102

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S)Br

InChI

InChI=1S/C16H13BrO4S/c1-20-14-7-6-10(8-12(14)17)13(18)9-21-16(19)11-4-2-3-5-15(11)22/h2-8,22H,9H2,1H3